Mrv1652305221920382D 83 93 0 0 1 0 999 V2000 9.8939 -1.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9243 -1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0902 3.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7212 0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1441 -1.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6735 -1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3560 3.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5669 -1.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2505 -1.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1315 4.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9104 0.5843 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0674 -2.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6354 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6631 3.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6991 -3.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1030 -3.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 3.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2794 -3.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5226 -2.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9423 -2.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8598 -3.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8879 2.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1971 2.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4901 -2.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 -2.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4386 4.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7404 -2.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0752 -2.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7044 4.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1069 4.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7931 -3.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0090 -2.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4611 2.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2421 1.5306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4160 3.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1303 -4.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6718 -1.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0993 0.4333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3735 -3.9973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4286 -2.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9781 1.1577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8019 1.2028 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9190 -0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8999 -0.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6535 2.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8483 -1.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9538 -4.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6239 2.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3166 -1.2439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5013 -1.2372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8657 4.8668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9110 1.4093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1631 -2.8867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6523 -2.8802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4798 5.7623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6636 -3.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1507 -3.5710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0114 5.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0618 4.8256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5499 -4.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2522 -1.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7702 2.2762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5513 1.0796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6801 3.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2243 -5.1453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5778 -0.8816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6578 -0.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1616 -0.2902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4772 2.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5111 -1.3756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2910 -4.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3147 2.8834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4223 -0.0028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3975 -0.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0914 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7106 -4.4885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6689 1.6087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4418 1.7235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9097 -0.2407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5062 1.9034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3967 -0.3362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8084 0.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3541 0.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 3 2 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 6 1 0 0 0 0 14 7 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 19 18 1 0 0 0 0 20 15 2 0 0 0 0 20 18 1 0 0 0 0 21 16 2 0 0 0 0 21 19 1 0 0 0 0 22 17 2 0 0 0 0 23 22 1 0 0 0 0 24 8 2 0 0 0 0 25 9 2 0 0 0 0 26 10 2 0 0 0 0 27 12 2 0 0 0 0 27 24 1 0 0 0 0 28 13 2 0 0 0 0 28 25 1 0 0 0 0 29 14 2 0 0 0 0 29 26 1 0 0 0 0 30 17 1 0 0 0 0 31 15 1 0 0 0 0 32 16 1 0 0 0 0 33 23 2 0 0 0 0 34 23 1 0 0 0 0 35 30 2 0 0 0 0 35 33 1 0 0 0 0 36 31 2 0 0 0 0 37 32 2 0 0 0 0 38 11 1 0 0 0 0 39 18 2 0 0 0 0 39 36 1 0 0 0 0 40 19 2 0 0 0 0 40 37 1 0 0 0 0 41 34 1 0 0 0 0 38 42 1 6 0 0 0 42 41 1 0 0 0 0 43 5 1 0 0 0 0 44 6 1 0 0 0 0 45 7 1 0 0 0 0 46 20 1 0 0 0 0 47 21 1 0 0 0 0 48 22 1 0 0 0 0 49 8 1 0 0 0 0 50 9 1 0 0 0 0 51 10 1 0 0 0 0 11 52 1 1 0 0 0 53 24 1 0 0 0 0 54 25 1 0 0 0 0 55 26 1 0 0 0 0 56 27 1 0 0 0 0 57 28 1 0 0 0 0 58 29 1 0 0 0 0 59 30 1 0 0 0 0 60 31 1 0 0 0 0 61 32 1 0 0 0 0 62 33 1 0 0 0 0 63 34 1 0 0 0 0 64 35 1 0 0 0 0 65 36 1 0 0 0 0 66 37 1 0 0 0 0 67 43 2 0 0 0 0 68 44 2 0 0 0 0 69 45 2 0 0 0 0 70 46 2 0 0 0 0 71 47 2 0 0 0 0 72 48 2 0 0 0 0 73 4 1 0 0 0 0 73 43 1 0 0 0 0 74 38 1 0 0 0 0 74 44 1 0 0 0 0 75 40 1 0 0 0 0 75 46 1 0 0 0 0 76 39 1 0 0 0 0 76 47 1 0 0 0 0 77 41 1 0 0 0 0 77 48 1 0 0 0 0 42 78 1 6 0 0 0 78 45 1 0 0 0 0 11 79 1 1 0 0 0 34 80 1 6 0 0 0 38 81 1 6 0 0 0 41 82 1 1 0 0 0 42 83 1 6 0 0 0 M END > FDB018734 > foodb > [H][C@]1(O)C2=C(O)C(O)=C(O)C3=C2C(=O)O[C@]1([H])[C@@]([H])(OC(=O)C1=CC(O)=C(O)C(O)=C31)[C@]1([H])OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C3C(=O)OC4=C5C(C(=O)OC(C(O)=C2O)=C35)=C(C(O)=C4O)C2=C(O)C(O)=C(O)C=C2C(=O)OC[C@@]1([H])O > InChI=1S/C48H28O30/c49-8-1-5-12(27(56)24(8)53)15-20-18-19-21(47(71)76-39(18)36(65)31(15)60)16(32(61)37(66)40(19)75-46(20)70)13-6(2-9(50)25(54)28(13)57)44(68)74-38(11(52)4-73-43(5)67)42-41-34(63)23-22(48(72)77-41)17(30(59)35(64)33(23)62)14-7(45(69)78-42)3-10(51)26(55)29(14)58/h1-3,11,34,38,41-42,49-66H,4H2/t11-,34+,38-,41+,42+/m1/s1 > FESAEKUFXJFTFG-AVXRNDHPSA-N > C48H28O30 > 1084.7179 > 1084.066539556 > 24 > 106 > 95.20088770113225 > 0 > 18 > 0 > 0 > (10R,11R)-10-[(14R,15S,19S)-2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.0^{5,18}.0^{6,11}]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-9,13,25,32-tetraoxaheptacyclo[25.8.0.0^{2,7}.0^{15,20}.0^{21,30}.0^{24,29}.0^{28,33}]pentatriaconta-1(27),2,4,6,15,17,19,21(30),22,24(29),28(33),34-dodecaene-8,14,26,31-tetrone > 3.03 > 2.9572521133333334 > -2.45 > 0 > 11 > -3 > 5.794184966877487 > 5.117476566084966 > -4.8154709394293365 > 521.94 > 247.52940000000015 > 1 > 0 > 3.87e+00 g/l > (10R,11R)-10-[(14R,15S,19S)-2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.0^{5,18}.0^{6,11}]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-9,13,25,32-tetraoxaheptacyclo[25.8.0.0^{2,7}.0^{15,20}.0^{21,30}.0^{24,29}.0^{28,33}]pentatriaconta-1(27),2,4,6,15,17,19,21(30),22,24(29),28(33),34-dodecaene-8,14,26,31-tetrone > 0 > FDB018734 > Punicacortein C $$$$